N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid

C20H25Cl2N5O5 — CID 175513258

IUPACN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid
SMILESO=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.O=[N+]([O-])O
InChIInChI=1S/C20H24Cl2N4O2.HNO3/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;2-1(3)4/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);(H,2,3,4)
InChIKeyRNFSPRHRKLVEPB-UHFFFAOYSA-N
MW486.36 g/mol
LogP3.35
Rot. Bonds6

About N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid

N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid (PubChem CID 175513258) has the molecular formula C20H25Cl2N5O5 and a molecular weight of 486.36 g/mol. Its IUPAC name is N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid.

Molecular Properties

Compound NameN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid
PubChem CID175513258
Molecular FormulaC20H25Cl2N5O5
Molecular Weight486.36 g/mol
Exact Mass485.12
IUPAC NameN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid
SMILESO=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.O=[N+]([O-])O
InChIInChI=1S/C20H24Cl2N4O2.HNO3/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;2-1(3)4/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);(H,2,3,4)
InChIKeyRNFSPRHRKLVEPB-UHFFFAOYSA-N
XLogP3.35
TPSA124.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid?
The IUPAC name of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid (CID 175513258) is N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid.
What is the SMILES notation for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid?
The canonical SMILES for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid is O=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.O=[N+]([O-])O.
What is the InChIKey of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid?
The InChIKey is RNFSPRHRKLVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2.HNO3/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;2-1(3)4/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);(H,2,3,4).
What are the key properties of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid?
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid has a molecular weight of 486.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;nitric acid is sourced from PubChem (CID 175513258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).